CID 2327202

N-{(e)-1-[(cyclohexylamino)carbonyl]-2-[5-(3,4-dichlorophenyl)-2-furyl]ethenyl}-4-methylbenzamide

Structural Information

Molecular Formula
C27H26Cl2N2O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)/C(=O)NC4CCCCC4
InChI
InChI=1S/C27H26Cl2N2O3/c1-17-7-9-18(10-8-17)26(32)31-24(27(33)30-20-5-3-2-4-6-20)16-21-12-14-25(34-21)19-11-13-22(28)23(29)15-19/h7-16,20H,2-6H2,1H3,(H,30,33)(H,31,32)/b24-16+
InChIKey
LUEBHUVSXSAFFB-LFVJCYFKSA-N
Compound name
N-[(E)-3-(cyclohexylamino)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.13205 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.13933 223.4
[M+Na]+ 519.12127 226.8
[M-H]- 495.12477 234.8
[M+NH4]+ 514.16587 230.7
[M+K]+ 535.09521 220.1
[M+H-H2O]+ 479.12931 214.5
[M+HCOO]- 541.13025 232.1
[M+CH3COO]- 555.14590 240.3
[M+Na-2H]- 517.10672 217.8
[M]+ 496.13150 223.8
[M]- 496.13260 223.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.